Molecular Orientation Analysis using Polarized Vibrational Spectroscopy
Dennis Hore
Gebundenes Buch

Molecular Orientation Analysis using Polarized Vibrational Spectroscopy

A Programmatic Approach

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This book illustrates how the structural information content in polarized vibrational spectra can be extracted to provide access to the organization of molecules in materials. It uniquely integrates programming concepts and complete code examples with a discussion of the spectroscopy and data analysis. It will also be of interest to those performing molecular simulations that wish to extract parameters of interest to experimentalists, including modeling of the vibrational spectra. Topics revolve around three techniques: polarized infrared absorption spectroscopy (including internal & external ...